4-Hydroxy-7,8-dimethoxy-6-(3-methylbut-2-enyl)furo[3,2-b]xanthen-5-one
PubChem CID: 101193830
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL17057014 |
|---|---|
| Topological Polar Surface Area | 78.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-7,8-dimethoxy-6-(3-methylbut-2-enyl)furo[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C22H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RJQGTNXLUPWEKK-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -4.953 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.207 |
| Compound Name | 4-Hydroxy-7,8-dimethoxy-6-(3-methylbut-2-enyl)furo[3,2-b]xanthen-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1511409142857145 |
| Inchi | InChI=1S/C22H20O6/c1-11(2)5-6-13-18-15(10-17(25-3)22(13)26-4)28-16-9-14-12(7-8-27-14)20(23)19(16)21(18)24/h5,7-10,23H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1OC)OC)OC3=C(C2=O)C(=C4C=COC4=C3)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients